(5S)-5-ethenylcyclohexa-1,3-diene

C8H10 — CID 57012028

IUPAC(5S)-5-ethenylcyclohexa-1,3-diene
SMILESC=C[C@H]1C=CC=CC1
InChIInChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h2-6,8H,1,7H2/t8-/m0/s1
InChIKeyQFXKUEDTOIEZOF-QMMMGPOBSA-N
MW106.17 g/mol
LogP2.30
Rot. Bonds1

About (5S)-5-ethenylcyclohexa-1,3-diene

(5S)-5-ethenylcyclohexa-1,3-diene (PubChem CID 57012028) has the molecular formula C8H10 and a molecular weight of 106.17 g/mol. Its IUPAC name is (5S)-5-ethenylcyclohexa-1,3-diene.

Molecular Properties

Compound Name(5S)-5-ethenylcyclohexa-1,3-diene
PubChem CID57012028
Molecular FormulaC8H10
Molecular Weight106.17 g/mol
Exact Mass106.08
IUPAC Name(5S)-5-ethenylcyclohexa-1,3-diene
SMILESC=C[C@H]1C=CC=CC1
InChIInChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h2-6,8H,1,7H2/t8-/m0/s1
InChIKeyQFXKUEDTOIEZOF-QMMMGPOBSA-N
XLogP2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.17
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethenylcyclohexa-1,3-diene?
The IUPAC name of (5S)-5-ethenylcyclohexa-1,3-diene (CID 57012028) is (5S)-5-ethenylcyclohexa-1,3-diene.
What is the SMILES notation for (5S)-5-ethenylcyclohexa-1,3-diene?
The canonical SMILES for (5S)-5-ethenylcyclohexa-1,3-diene is C=C[C@H]1C=CC=CC1.
What is the InChIKey of (5S)-5-ethenylcyclohexa-1,3-diene?
The InChIKey is QFXKUEDTOIEZOF-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h2-6,8H,1,7H2/t8-/m0/s1.
What are the key properties of (5S)-5-ethenylcyclohexa-1,3-diene?
(5S)-5-ethenylcyclohexa-1,3-diene has a molecular weight of 106.17 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethenylcyclohexa-1,3-diene is sourced from PubChem (CID 57012028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).